Vitas-M small molecule compound
methyl [(5Z)-5-{4-[(4-chlorobenzyl)oxy]-3-methoxybenzylidene}-3-methyl-4-oxo-2-thioxoimidazolidin-1-yl]acetate
Catalog ID
STK021880
SMILES COC(=O)CN1C(=S)N(C(=O)/C/1=C/c1ccc(c(c1)OC)OCc1ccc(cc1)Cl)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H21ClN2O5S MW 460.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21ClN2O5S/c1-24-21(27)17(25(22(24)31)12-20(26)29-3)10-15-6-9-18(19(11-15)28-2)30-13-14-4-7-16(23)8-5-14/h4-11H,12-13H2,1-3H3/b17-10-InChIKey
IJZURKSVHLKMLA-YVLHZVERSA-NSynonyms
CN1C(=O)C(=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)Cl)OC)N(C1=S)CC(=O)OC
COC(=O)CN1C(=S)N(C(=O)C1=Cc1ccc(c(c1)OC)OCc1ccc(cc1)Cl)C
InChI=1SC22H21ClN2O5Sc12421(27)17(25(22(24)31)1220(26)293)10156918(19(1115)282)3013144716(23)8514h411H1213H213H3b1710
METHYL((5Z)5(4((4CHLOROBENZYL)OXY)3METHOXYBENZYLIDENE)3METHYL4OXO2THIOXOIMIDAZOLIDIN1YL)ACETATE
METHYL2((5Z)5((4((4CHLOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)3METHYL4OXO2SULFANYLIDENEIMIDAZOLIDIN1YL)ACETATE
MFCD04086811
STK021880
ZINC000030828495
ZINC30828495
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